ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate

C15H18N2O3 — CID 13164660

IUPACethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate
SMILESCCOC(=O)CC1C=CNC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3/c1-3-20-14(18)10-13-8-9-16-15(19)17(13)12-6-4-11(2)5-7-12/h4-9,13H,3,10H2,1-2H3,(H,16,19)
InChIKeyGESSMOPQZZHANF-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.36
Rot. Bonds4

About ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate

ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate (PubChem CID 13164660) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate
PubChem CID13164660
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate
SMILESCCOC(=O)CC1C=CNC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3/c1-3-20-14(18)10-13-8-9-16-15(19)17(13)12-6-4-11(2)5-7-12/h4-9,13H,3,10H2,1-2H3,(H,16,19)
InChIKeyGESSMOPQZZHANF-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate
CID 13164661
ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate
CID 44614200
ethyl 2-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]acetate
CID 125453865
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate
CID 1472673
ethyl 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 1382900
ethyl (2R,3R)-2-(4-bromophenyl)-1-(4-methylphenyl)-4,5-dioxopyrrolidine-3-carboxylate
CID 7562218
ethyl 2-[1-formyl-4-(4-methylphenyl)-3-oxopiperazin-2-yl]-2-hydroxyacetate
CID 87314792
ethyl 2-[4,4-difluoro-1-(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]acetate
CID 102289818
1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethyl propanoate;heptan-4-one;hexan-3-one;1-methyl-4-(4-methylphenyl)piperazine
CID 167615842
ethyl 2-(2,3-dimethyltetrazolidin-5-yl)acetate
CID 163879757
ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1479019

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate?
The IUPAC name of ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate (CID 13164660) is ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate is CCOC(=O)CC1C=CNC(=O)N1c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate?
The InChIKey is GESSMOPQZZHANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-20-14(18)10-13-8-9-16-15(19)17(13)12-6-4-11(2)5-7-12/h4-9,13H,3,10H2,1-2H3,(H,16,19).
What are the key properties of ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate?
ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate has a molecular weight of 274.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-methylphenyl)-2-oxo-1,4-dihydropyrimidin-4-yl]acetate is sourced from PubChem (CID 13164660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).